N-(4-bromophenyl)-2-[3-(4-chlorophenyl)-2,4-dioxo-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-1(2H)-yl]acetamide
Chemical Structure Depiction of
N-(4-bromophenyl)-2-[3-(4-chlorophenyl)-2,4-dioxo-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-1(2H)-yl]acetamide
N-(4-bromophenyl)-2-[3-(4-chlorophenyl)-2,4-dioxo-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-1(2H)-yl]acetamide
Compound characteristics
| Compound ID: | C258-0673 |
| Compound Name: | N-(4-bromophenyl)-2-[3-(4-chlorophenyl)-2,4-dioxo-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-1(2H)-yl]acetamide |
| Molecular Weight: | 544.85 |
| Molecular Formula: | C24 H19 Br Cl N3 O3 S |
| Smiles: | C1CCc2c(C1)c1C(N(C(N(CC(Nc3ccc(cc3)[Br])=O)c1s2)=O)c1ccc(cc1)[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 5.8912 |
| logD: | 5.8911 |
| logSw: | -6.4304 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 54.177 |
| InChI Key: | CYJOBZSFEAZPFM-UHFFFAOYSA-N |